methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate

C16H15FN2O5S — CID 46604259

IUPACmethyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O5S/c1-10-3-4-12(16(21)24-2)9-14(10)25(22,23)19-18-15(20)11-5-7-13(17)8-6-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMLWRXHCBFMUHMZ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.54
Rot. Bonds5

About methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate

methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate (PubChem CID 46604259) has the molecular formula C16H15FN2O5S and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate
PubChem CID46604259
Molecular FormulaC16H15FN2O5S
Molecular Weight366.37 g/mol
Exact Mass366.07
IUPAC Namemethyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H15FN2O5S/c1-10-3-4-12(16(21)24-2)9-14(10)25(22,23)19-18-15(20)11-5-7-13(17)8-6-11/h3-9,19H,1-2H3,(H,18,20)
InChIKeyMLWRXHCBFMUHMZ-UHFFFAOYSA-N
XLogP1.54
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-(methylsulfonamidomethyl)-2-sulfamoylbenzoate
CID 17937780
Methyl 4-[[(3-oxo-1,2-benzothiazol-2-yl)amino]methyl]benzoate
CID 155514181
3-(ethoxymethyl)-N'-(2-fluorophenyl)sulfonyl-5-methylbenzohydrazide
CID 155545923
N'-(benzenesulfonyl)-5-(ethoxymethyl)-2-fluoro-3-methylbenzohydrazide
CID 155555983
Methyl 2-[(benzoylamino)sulfonyl]benzoate
CID 753816
2-fluoro-N'-[3-(methoxymethyl)phenyl]sulfonyl-3-methyl-5-phenylbenzohydrazide
CID 177865454
Methyl 3-[(2-fluorobenzoyl)sulfamoyl]benzoate
CID 53586948
Dimethyl 2-[(3-fluorophenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 17493605
Methyl 4-[[(2-fluorobenzoyl)amino]carbamoyl]benzoate
CID 9402667
Methyl 4-((4-fluorophenylsulfonamido)methyl)benzoate
CID 60466829
Ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
CID 60580715
2-[(4-Fluorophenyl)methylsulfamoyl]benzoic acid methyl ester
CID 67044384

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate?
The IUPAC name of methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate (CID 46604259) is methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate is COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate?
The InChIKey is MLWRXHCBFMUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O5S/c1-10-3-4-12(16(21)24-2)9-14(10)25(22,23)19-18-15(20)11-5-7-13(17)8-6-11/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate?
methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate has a molecular weight of 366.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(4-fluorobenzoyl)amino]sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 46604259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).